N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

C10H10N6O — CID 6900253

IUPACN-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N/N=C/c1ccccn1
InChIInChI=1S/C10H10N6O/c17-10(6-16-8-11-7-14-16)15-13-5-9-3-1-2-4-12-9/h1-5,7-8H,6H2,(H,15,17)/b13-5+
InChIKeyMUKQHFDFAHZTOV-WLRTZDKTSA-N
MW230.23 g/mol
LogP-0.18
Rot. Bonds4

About N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 6900253) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID6900253
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC NameN-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)N/N=C/c1ccccn1
InChIInChI=1S/C10H10N6O/c17-10(6-16-8-11-7-14-16)15-13-5-9-3-1-2-4-12-9/h1-5,7-8H,6H2,(H,15,17)/b13-5+
InChIKeyMUKQHFDFAHZTOV-WLRTZDKTSA-N
XLogP-0.18
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-pyridin-3-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424330
N,N'-bis[(E)-pyridin-2-ylmethylideneamino]pentanediamide
CID 6874692
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424345
N-[(Z)-pyridin-2-ylmethylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5424100
N-[(Z)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424576
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 6884617
2-(benzotriazol-1-yl)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 6014121
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 5424500
2-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 5342159
3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 6138310
N-[(E)-pyridin-2-ylmethylideneamino]-2-thiophen-2-ylacetamide
CID 6862493
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 6862895

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (CID 6900253) is N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)N/N=C/c1ccccn1.
What is the InChIKey of N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is MUKQHFDFAHZTOV-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H10N6O/c17-10(6-16-8-11-7-14-16)15-13-5-9-3-1-2-4-12-9/h1-5,7-8H,6H2,(H,15,17)/b13-5+.
What are the key properties of N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 230.23 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-2-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 6900253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).